2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetate

C8H15NO2 — CID 7258516

IUPAC2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetate
SMILESC[C@@H]1CCC[NH+](CC(=O)[O-])C1
InChIInChI=1S/C8H15NO2/c1-7-3-2-4-9(5-7)6-8(10)11/h7H,2-6H2,1H3,(H,10,11)/t7-/m1/s1
InChIKeyFVULGLRBNFRVTR-SSDOTTSWSA-N
MW157.21 g/mol
LogP-1.95
Rot. Bonds2

About 2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetate

2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetate (PubChem CID 7258516) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetate.

Molecular Properties

Compound Name2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetate
PubChem CID7258516
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetate
SMILESC[C@@H]1CCC[NH+](CC(=O)[O-])C1
InChIInChI=1S/C8H15NO2/c1-7-3-2-4-9(5-7)6-8(10)11/h7H,2-6H2,1H3,(H,10,11)/t7-/m1/s1
InChIKeyFVULGLRBNFRVTR-SSDOTTSWSA-N
XLogP-1.95
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-1.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetate?
The IUPAC name of 2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetate (CID 7258516) is 2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetate.
What is the SMILES notation for 2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetate?
The canonical SMILES for 2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetate is C[C@@H]1CCC[NH+](CC(=O)[O-])C1.
What is the InChIKey of 2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetate?
The InChIKey is FVULGLRBNFRVTR-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7-3-2-4-9(5-7)6-8(10)11/h7H,2-6H2,1H3,(H,10,11)/t7-/m1/s1.
What are the key properties of 2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetate?
2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetate has a molecular weight of 157.21 g/mol, XLogP of -1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetate is sourced from PubChem (CID 7258516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).